N-{(3S,4S)-4-[(6-Amino-4-Methyl-2-Pyridinyl)Methyl]-3-Pyrrolidinyl}-N'-(4-Chlorobenzyl)-1,2-Ethanediamine

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Properties Simple | Detailed

Formula C20H28ClN5
IUPAC Name n'-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n-[(4-chlorophenyl)methyl]ethane-1,2-diamine
Molecular Mass 373.923 g·mol−1
Heat of Formation 155.1 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 475.65 Å 3
Surface Area 420.29 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-[2-[(4-chlorobenzyl)amino]ethyl]amine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]-3-pyrrolidinyl]-n'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-pyridin-2-yl)methyl]pyrrolidin-3-yl]-n'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
  • n-[(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl]-n'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
InChIKey JDRSQGJWTVRNGM-QFBILLFUSA-N
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